4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one

C18H22Cl2N4O2Si — CID 162388393

IUPAC4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one
SMILESC[Si](C)(C)CCOCn1cnc(Cn2c(=O)nc(Cl)c3ccc(Cl)cc32)c1
InChIInChI=1S/C18H22Cl2N4O2Si/c1-27(2,3)7-6-26-12-23-9-14(21-11-23)10-24-16-8-13(19)4-5-15(16)17(20)22-18(24)25/h4-5,8-9,11H,6-7,10,12H2,1-3H3
InChIKeyHLKOMIDAPUKYTK-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.26
Rot. Bonds7

About 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one

4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one (PubChem CID 162388393) has the molecular formula C18H22Cl2N4O2Si and a molecular weight of 425.39 g/mol. Its IUPAC name is 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one.

Molecular Properties

Compound Name4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one
PubChem CID162388393
Molecular FormulaC18H22Cl2N4O2Si
Molecular Weight425.39 g/mol
Exact Mass424.09
IUPAC Name4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one
SMILESC[Si](C)(C)CCOCn1cnc(Cn2c(=O)nc(Cl)c3ccc(Cl)cc32)c1
InChIInChI=1S/C18H22Cl2N4O2Si/c1-27(2,3)7-6-26-12-23-9-14(21-11-23)10-24-16-8-13(19)4-5-15(16)17(20)22-18(24)25/h4-5,8-9,11H,6-7,10,12H2,1-3H3
InChIKeyHLKOMIDAPUKYTK-UHFFFAOYSA-N
XLogP4.26
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one
CID 162388305
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
CID 71497150
2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90075794
2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
CID 159759236
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-4-one
CID 154441350

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one?
The IUPAC name of 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one (CID 162388393) is 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one.
What is the SMILES notation for 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one?
The canonical SMILES for 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one is C[Si](C)(C)CCOCn1cnc(Cn2c(=O)nc(Cl)c3ccc(Cl)cc32)c1.
What is the InChIKey of 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one?
The InChIKey is HLKOMIDAPUKYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2Si/c1-27(2,3)7-6-26-12-23-9-14(21-11-23)10-24-16-8-13(19)4-5-15(16)17(20)22-18(24)25/h4-5,8-9,11H,6-7,10,12H2,1-3H3.
What are the key properties of 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one?
4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one has a molecular weight of 425.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one is sourced from PubChem (CID 162388393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).